1-(1H-benzimidazol-2-ylmethyl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline hydrochloride

Systemtic Name: 1-(1H-benzimidazol-2-ylmethyl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 2-(benzenesulfonyl)-1-(1H-benzimidazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 2-(benzenesulfonyl)-1-(1H-benzimidazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 2-(benzenesulfonyl)-1-(1H-benzimidazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 1-(1H-benzimidazol-2-ylmethyl)-2-besyl-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC3=NC4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC3=NC4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C23H21N3O2S.ClH/c27-29(28,18-9-2-1-3-10-18)26-15-14-17-8-4-5-11-19(17)22(26)16-23-24-20-12-6-7-13-21(20)25-23;/h1-13,22H,14-16H2,(H,24,25);1H